SCHEMBL7101845

SCHEMBL7101845

NC(=Nc1cc(CS)ccc1Cl)N1CCCc2ccc(C(F)(F)F)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
KMT2A Q03164 3/20 0.35
CNR2 P34972 1/20 0.35
ROCK1 Q13464 1/20 0.33
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 2/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7101931 0.92 KMT2A (0.41) KMT2AL3MBTL1MAPTHTR2AHTR2C
SCHEMBL7099398 0.90 KMT2A (0.40) HDAC8HDAC6HDAC3HDAC1HDAC7
SCHEMBL7613843 0.85 KMT2A (0.39) HDAC8HDAC6HDAC3HDAC1HDAC7
SCHEMBL7104470 0.84 SIGMAR1 (0.45) KMT2AMAPTALDH1A1SIGMAR1MEN1
SCHEMBL6846382 0.81 KMT2A (0.36) KMT2ACNR2XIAPBIRC2HTR2A
SCHEMBL8303584 0.76 ALDH1A1 (0.38) HDAC8HDAC6HDAC3HDAC1HDAC7
Hydrochloric Acid SCHEMBL6774822 0.74 CNR2 (0.37) HDAC8HDAC6HDAC3HDAC1HDAC7
Hydrochloric Acid SCHEMBL6775753 0.73 KMT2A (0.41) KMT2AL3MBTL1MAPTHTR2AHTR2C
SCHEMBL9393577 0.70 CNR2 (0.52) HDAC8HDAC6HDAC3HDAC1HDAC7
SCHEMBL6770333 0.69 GPBAR1 (0.49) KMT2AMAPTNPSR1SIGMAR1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153763-A1 Pharmaceutically active compounds and methods of use WYETH 2003-08-14 US claimed
US-20020099084-A1 Pharmaceutically active compounds and methods of use WYETH 2002-07-25 US claimed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030153763-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN HDAC8 973/4885HDAC6 127/4885HDAC3 190/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN HDAC8 973/4885HDAC6 127/4885HDAC3 190/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.